2,7-dimethyloct-7-en-5-yn-4-yl 4-ethylbenzoate

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl 4-ethylbenzoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C19H24O2 MolecularWeight: 284.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC(CC(C)C)C#CC(=C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC(CC(C)C)C#CC(=C)C

InChI

InChI=1S/C19H24O2/c1-6-16-8-10-17(11-9-16)19(20)21-18(13-15(4)5)12-7-14(2)3/h8-11,15,18H,2,6,13H2,1,3-5H3